CID 43982

Ethanone, 1-(4-(3-chlorophenyl)-1-(3-(4-morpholinyl)propyl)-4-piperidinyl)-, dihydrochloride

Structural Information

Molecular Formula
C20H29ClN2O2
SMILES
CC(=O)C1(CCN(CC1)CCCN2CCOCC2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C20H29ClN2O2/c1-17(24)20(18-4-2-5-19(21)16-18)6-10-22(11-7-20)8-3-9-23-12-14-25-15-13-23/h2,4-5,16H,3,6-15H2,1H3
InChIKey
WNPMRAWWENFWCR-UHFFFAOYSA-N
Compound name
1-[4-(3-chlorophenyl)-1-(3-morpholin-4-ylpropyl)piperidin-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.19174 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19902 189.8
[M+Na]+ 387.18096 192.3
[M-H]- 363.18446 194.8
[M+NH4]+ 382.22556 199.9
[M+K]+ 403.15490 188.1
[M+H-H2O]+ 347.18900 179.0
[M+HCOO]- 409.18994 196.1
[M+CH3COO]- 423.20559 212.9
[M+Na-2H]- 385.16641 189.4
[M]+ 364.19119 185.9
[M]- 364.19229 185.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.